ADAFOSBUVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S83770Y75R

Structure
InChI Key NIJYGVDQZBBONK-SEUXLIJBSA-N
Smile CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1
InChI
InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FN3O10P
Molecular Weight 545.46
AlogP 0.98
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 178.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor PubMed PubMed Other Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4129286
DrugBank DB14906
FDA SRS S83770Y75R
PubChem 118596336
SureChEMBL SCHEMBL17359926
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